SCHEMBL12864600

SCHEMBL12864600

CCCCc1ccc(C(=O)NC2CCC(C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.57
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
RAB9A P51151 3/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.50
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
TSHR P16473 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
EPHX1 P07099 1/20 0.47
EPHX2 P34913 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10133700 0.88 SMYD3 (0.57) PLK1TRPV1TP53
SCHEMBL10112894 0.88 SMYD3 (0.57) PLK1TRPV1TP53
SCHEMBL8337991 0.85 PLK1 (0.62) PLK1CA12CA9NPC1SMN1; SMN2
SCHEMBL517500 0.83 NPC1 (0.65) CA12CA9NPC1SMN1; SMN2ALDH1A1
SCHEMBL14418239 0.82 PLK1 (0.50) PLK1TRPV1KMT2ATP53TSHR
SCHEMBL10112890 0.82 PLK1 (0.50) PLK1TRPV1KMT2ATP53TSHR
SCHEMBL10113909 0.81 PLK1 (0.49) PLK1CA12CA9NPC1HPGD
SCHEMBL10113046 0.81 PLK1 (0.49) PLK1CA12CA9NPC1HPGD
SCHEMBL10133291 0.81 PLK1 (0.49) PLK1CA12CA9NPC1HPGD
SCHEMBL13972889 0.81 PLK1 (0.55) PLK1ALDH1A1HPGDTRPV1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4755/4885CA12 2123/4885CA9 1681/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.